4-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide

C12H17N5O2 — CID 106368577

IUPAC4-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)NCc2ncc(C)o2)c1N
InChIInChI=1S/C12H17N5O2/c1-3-4-8-10(13)11(17-16-8)12(18)15-6-9-14-5-7(2)19-9/h5H,3-4,6,13H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyCNFZTNBDGIRJDQ-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.17
Rot. Bonds5

About 4-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide

4-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 106368577) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID106368577
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name4-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)NCc2ncc(C)o2)c1N
InChIInChI=1S/C12H17N5O2/c1-3-4-8-10(13)11(17-16-8)12(18)15-6-9-14-5-7(2)19-9/h5H,3-4,6,13H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyCNFZTNBDGIRJDQ-UHFFFAOYSA-N
XLogP1.17
TPSA109.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 65241562
4-amino-N-[(4-ethylphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 106899103
4-amino-N-[(3-methyl-4-pyridinyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 114698169
4-amino-N-[(3-methylphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 62077427
ethyl 4-[(4-amino-5-propyl-1H-pyrazole-3-carbonyl)amino]butanoate
CID 64581941
4-amino-5-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 79223369
4-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 62076450
4-amino-N-[(3,4-difluorophenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
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1-ethyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea
CID 103738715
4-amino-N-(2-methoxyethyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 62075273
4-amino-N-(2,2-difluoroethyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 115405291
4-amino-N-(2-methylsulfanylethyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 63981757

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide (CID 106368577) is 4-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide is CCCc1[nH]nc(C(=O)NCc2ncc(C)o2)c1N.
What is the InChIKey of 4-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is CNFZTNBDGIRJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-3-4-8-10(13)11(17-16-8)12(18)15-6-9-14-5-7(2)19-9/h5H,3-4,6,13H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 4-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide?
4-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 1.17, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 106368577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).