3-amino-N-propyl-1H-pyrazole-5-carboxamide;1-O-tert-butyl 3-O-ethyl 5-aminopyrazole-1,3-dicarboxylate;hydrochloride

C18H30ClN7O5 — CID 160565700

IUPAC3-amino-N-propyl-1H-pyrazole-5-carboxamide;1-O-tert-butyl 3-O-ethyl 5-aminopyrazole-1,3-dicarboxylate;hydrochloride
SMILESCCCNC(=O)c1cc(N)n[nH]1.CCOC(=O)c1cc(N)n(C(=O)OC(C)(C)C)n1.Cl
InChIInChI=1S/C11H17N3O4.C7H12N4O.ClH/c1-5-17-9(15)7-6-8(12)14(13-7)10(16)18-11(2,3)4;1-2-3-9-7(12)5-4-6(8)11-10-5;/h6H,5,12H2,1-4H3;4H,2-3H2,1H3,(H,9,12)(H3,8,10,11);1H
InChIKeyZBDHOIAUMDNUHW-UHFFFAOYSA-N
MW459.94 g/mol
LogP1.98
Rot. Bonds5

About 3-amino-N-propyl-1H-pyrazole-5-carboxamide;1-O-tert-butyl 3-O-ethyl 5-aminopyrazole-1,3-dicarboxylate;hydrochloride

3-amino-N-propyl-1H-pyrazole-5-carboxamide;1-O-tert-butyl 3-O-ethyl 5-aminopyrazole-1,3-dicarboxylate;hydrochloride (PubChem CID 160565700) has the molecular formula C18H30ClN7O5 and a molecular weight of 459.94 g/mol. Its IUPAC name is 3-amino-N-propyl-1H-pyrazole-5-carboxamide;1-O-tert-butyl 3-O-ethyl 5-aminopyrazole-1,3-dicarboxylate;hydrochloride.

Molecular Properties

Compound Name3-amino-N-propyl-1H-pyrazole-5-carboxamide;1-O-tert-butyl 3-O-ethyl 5-aminopyrazole-1,3-dicarboxylate;hydrochloride
PubChem CID160565700
Molecular FormulaC18H30ClN7O5
Molecular Weight459.94 g/mol
Exact Mass459.20
IUPAC Name3-amino-N-propyl-1H-pyrazole-5-carboxamide;1-O-tert-butyl 3-O-ethyl 5-aminopyrazole-1,3-dicarboxylate;hydrochloride
SMILESCCCNC(=O)c1cc(N)n[nH]1.CCOC(=O)c1cc(N)n(C(=O)OC(C)(C)C)n1.Cl
InChIInChI=1S/C11H17N3O4.C7H12N4O.ClH/c1-5-17-9(15)7-6-8(12)14(13-7)10(16)18-11(2,3)4;1-2-3-9-7(12)5-4-6(8)11-10-5;/h6H,5,12H2,1-4H3;4H,2-3H2,1H3,(H,9,12)(H3,8,10,11);1H
InChIKeyZBDHOIAUMDNUHW-UHFFFAOYSA-N
XLogP1.98
TPSA180.24 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.94
LogP ≤ 51.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 3-amino-N-propyl-1H-pyrazole-5-carboxamide;1-O-tert-butyl 3-O-ethyl 5-aminopyrazole-1,3-dicarboxylate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-O-ethyl 1-O-methyl 5-aminopyrazole-1,3-dicarboxylate
CID 11287330
3-amino-N-pentyl-1H-pyrazole-5-carboxamide
CID 64525391
3-amino-N-[3-(diethylamino)propyl]-1H-pyrazole-5-carboxamide
CID 64524402
3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-carboxamide
CID 114464789
1-O-tert-butyl 3-O-ethyl 5-(2-methoxycarbonylanilino)pyrazole-1,3-dicarboxylate
CID 101025644
3-amino-N-(2-hydroxy-2-methylbutyl)-1H-pyrazole-5-carboxamide
CID 65103461
3-amino-N-[2-(ethylamino)-2-oxoethyl]-1H-pyrazole-5-carboxamide
CID 64524226
3-amino-N-(2-cyclopentylethyl)-1H-pyrazole-5-carboxamide
CID 64523051
diethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazole-3,5-dicarboxylate
CID 67968131
tert-butyl 4-[(3-ethoxycarbonyl-1H-pyrazol-5-yl)methyl]piperazine-1-carboxylate
CID 134413991
dimethyl 5-aminopyrazole-1,3-dicarboxylate
CID 163321502
1-O-tert-butyl 5-O-ethyl 3-bromopyrazole-1,5-dicarboxylate
CID 146270204

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-propyl-1H-pyrazole-5-carboxamide;1-O-tert-butyl 3-O-ethyl 5-aminopyrazole-1,3-dicarboxylate;hydrochloride?
The IUPAC name of 3-amino-N-propyl-1H-pyrazole-5-carboxamide;1-O-tert-butyl 3-O-ethyl 5-aminopyrazole-1,3-dicarboxylate;hydrochloride (CID 160565700) is 3-amino-N-propyl-1H-pyrazole-5-carboxamide;1-O-tert-butyl 3-O-ethyl 5-aminopyrazole-1,3-dicarboxylate;hydrochloride.
What is the SMILES notation for 3-amino-N-propyl-1H-pyrazole-5-carboxamide;1-O-tert-butyl 3-O-ethyl 5-aminopyrazole-1,3-dicarboxylate;hydrochloride?
The canonical SMILES for 3-amino-N-propyl-1H-pyrazole-5-carboxamide;1-O-tert-butyl 3-O-ethyl 5-aminopyrazole-1,3-dicarboxylate;hydrochloride is CCCNC(=O)c1cc(N)n[nH]1.CCOC(=O)c1cc(N)n(C(=O)OC(C)(C)C)n1.Cl.
What is the InChIKey of 3-amino-N-propyl-1H-pyrazole-5-carboxamide;1-O-tert-butyl 3-O-ethyl 5-aminopyrazole-1,3-dicarboxylate;hydrochloride?
The InChIKey is ZBDHOIAUMDNUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4.C7H12N4O.ClH/c1-5-17-9(15)7-6-8(12)14(13-7)10(16)18-11(2,3)4;1-2-3-9-7(12)5-4-6(8)11-10-5;/h6H,5,12H2,1-4H3;4H,2-3H2,1H3,(H,9,12)(H3,8,10,11);1H.
What are the key properties of 3-amino-N-propyl-1H-pyrazole-5-carboxamide;1-O-tert-butyl 3-O-ethyl 5-aminopyrazole-1,3-dicarboxylate;hydrochloride?
3-amino-N-propyl-1H-pyrazole-5-carboxamide;1-O-tert-butyl 3-O-ethyl 5-aminopyrazole-1,3-dicarboxylate;hydrochloride has a molecular weight of 459.94 g/mol, XLogP of 1.98, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-propyl-1H-pyrazole-5-carboxamide;1-O-tert-butyl 3-O-ethyl 5-aminopyrazole-1,3-dicarboxylate;hydrochloride is sourced from PubChem (CID 160565700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).