4-amino-N-methyl-N-(oxolan-3-yl)-5-propyl-1H-pyrazole-3-carboxamide

C12H20N4O2 — CID 82741207

IUPAC4-amino-N-methyl-N-(oxolan-3-yl)-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)N(C)C2CCOC2)c1N
InChIInChI=1S/C12H20N4O2/c1-3-4-9-10(13)11(15-14-9)12(17)16(2)8-5-6-18-7-8/h8H,3-7,13H2,1-2H3,(H,14,15)
InChIKeyCCTXCQKZAMPWME-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.81
Rot. Bonds4

About 4-amino-N-methyl-N-(oxolan-3-yl)-5-propyl-1H-pyrazole-3-carboxamide

4-amino-N-methyl-N-(oxolan-3-yl)-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 82741207) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-amino-N-methyl-N-(oxolan-3-yl)-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-(oxolan-3-yl)-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID82741207
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name4-amino-N-methyl-N-(oxolan-3-yl)-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)N(C)C2CCOC2)c1N
InChIInChI=1S/C12H20N4O2/c1-3-4-9-10(13)11(15-14-9)12(17)16(2)8-5-6-18-7-8/h8H,3-7,13H2,1-2H3,(H,14,15)
InChIKeyCCTXCQKZAMPWME-UHFFFAOYSA-N
XLogP0.81
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-methyl-N-(oxan-4-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62075730
4-amino-N,N-diethyl-5-propyl-1H-pyrazole-3-carboxamide
CID 62075271
5-amino-N-methyl-N-(oxolan-3-yl)-1H-indazole-3-carboxamide
CID 82740968
3-amino-N-methyl-N-(oxolan-3-yl)-1H-1,2,4-triazole-5-carboxamide
CID 82738033
4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 102858736
4-amino-N-[2-(dimethylamino)ethyl]-N-methyl-5-propyl-1H-pyrazole-3-carboxamide
CID 63694582
4-amino-N,5-diethyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62080957
4-amino-5-ethyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62081121
4-amino-N-methyl-N-(2-phenylethyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 62076132
methyl 4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)morpholine-3-carboxylate
CID 104774373
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(4-amino-5-propyl-1H-pyrazol-3-yl)methanone
CID 62077104
3-ethyl-1-methyl-1-(oxolan-3-yl)urea
CID 115616986

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-(oxolan-3-yl)-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-methyl-N-(oxolan-3-yl)-5-propyl-1H-pyrazole-3-carboxamide (CID 82741207) is 4-amino-N-methyl-N-(oxolan-3-yl)-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-N-(oxolan-3-yl)-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-methyl-N-(oxolan-3-yl)-5-propyl-1H-pyrazole-3-carboxamide is CCCc1[nH]nc(C(=O)N(C)C2CCOC2)c1N.
What is the InChIKey of 4-amino-N-methyl-N-(oxolan-3-yl)-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is CCTXCQKZAMPWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-3-4-9-10(13)11(15-14-9)12(17)16(2)8-5-6-18-7-8/h8H,3-7,13H2,1-2H3,(H,14,15).
What are the key properties of 4-amino-N-methyl-N-(oxolan-3-yl)-5-propyl-1H-pyrazole-3-carboxamide?
4-amino-N-methyl-N-(oxolan-3-yl)-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-(oxolan-3-yl)-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 82741207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).