4-amino-1-methyl-N-(3-propan-2-yloxypropyl)pyrazole-5-carboxamide

C11H20N4O2 — CID 132586606

IUPAC4-amino-1-methyl-N-(3-propan-2-yloxypropyl)pyrazole-5-carboxamide
SMILESCC(C)OCCCNC(=O)c1c(N)cnn1C
InChIInChI=1S/C11H20N4O2/c1-8(2)17-6-4-5-13-11(16)10-9(12)7-14-15(10)3/h7-8H,4-6,12H2,1-3H3,(H,13,16)
InChIKeyBEZKEKCTKHXGBV-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.55
Rot. Bonds6

About 4-amino-1-methyl-N-(3-propan-2-yloxypropyl)pyrazole-5-carboxamide

4-amino-1-methyl-N-(3-propan-2-yloxypropyl)pyrazole-5-carboxamide (PubChem CID 132586606) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-amino-1-methyl-N-(3-propan-2-yloxypropyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-methyl-N-(3-propan-2-yloxypropyl)pyrazole-5-carboxamide
PubChem CID132586606
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name4-amino-1-methyl-N-(3-propan-2-yloxypropyl)pyrazole-5-carboxamide
SMILESCC(C)OCCCNC(=O)c1c(N)cnn1C
InChIInChI=1S/C11H20N4O2/c1-8(2)17-6-4-5-13-11(16)10-9(12)7-14-15(10)3/h7-8H,4-6,12H2,1-3H3,(H,13,16)
InChIKeyBEZKEKCTKHXGBV-UHFFFAOYSA-N
XLogP0.55
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(2,3-dimethylbutyl)-1-methylpyrazole-5-carboxamide
CID 65359284
4-amino-N-(3-hydroxy-2-methylpropyl)-1-methylpyrazole-5-carboxamide
CID 65359621
4-amino-N-(2-hydroxy-3-methoxypropyl)-1-methylpyrazole-5-carboxamide
CID 65359620
4-amino-3-ethyl-1-methyl-N-(4-propan-2-yloxybutyl)pyrazole-5-carboxamide
CID 106006154
4-amino-1-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrazole-5-carboxamide
CID 65360012
4-amino-N-butyl-1-propylpyrazole-5-carboxamide
CID 132586632
2-amino-N-(3-propan-2-yloxypropyl)benzamide
CID 61249223
4-amino-N-hexan-2-yl-1-methylpyrazole-5-carboxamide
CID 65359999
4-amino-1-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrazole-5-carboxamide
CID 114114711
ethyl 2-[(4-amino-1-methylpyrazole-5-carbonyl)amino]propanoate
CID 65359556
4-amino-N-(2,2-difluoropropyl)-1-methylpyrazole-5-carboxamide
CID 70115769
4-amino-N-(3-propan-2-yloxypropyl)-1,2,5-oxadiazole-3-carboxamide
CID 62685822

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-N-(3-propan-2-yloxypropyl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-methyl-N-(3-propan-2-yloxypropyl)pyrazole-5-carboxamide (CID 132586606) is 4-amino-1-methyl-N-(3-propan-2-yloxypropyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-methyl-N-(3-propan-2-yloxypropyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-methyl-N-(3-propan-2-yloxypropyl)pyrazole-5-carboxamide is CC(C)OCCCNC(=O)c1c(N)cnn1C.
What is the InChIKey of 4-amino-1-methyl-N-(3-propan-2-yloxypropyl)pyrazole-5-carboxamide?
The InChIKey is BEZKEKCTKHXGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-8(2)17-6-4-5-13-11(16)10-9(12)7-14-15(10)3/h7-8H,4-6,12H2,1-3H3,(H,13,16).
What are the key properties of 4-amino-1-methyl-N-(3-propan-2-yloxypropyl)pyrazole-5-carboxamide?
4-amino-1-methyl-N-(3-propan-2-yloxypropyl)pyrazole-5-carboxamide has a molecular weight of 240.31 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-N-(3-propan-2-yloxypropyl)pyrazole-5-carboxamide is sourced from PubChem (CID 132586606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).