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

C14H22N6O — CID 79223369

IUPAC4-amino-5-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)NCc2c(C)nn(C)c2C)c1N
InChIInChI=1S/C14H22N6O/c1-5-6-11-12(15)13(18-17-11)14(21)16-7-10-8(2)19-20(4)9(10)3/h5-7,15H2,1-4H3,(H,16,21)(H,17,18)
InChIKeyQHIGJXFLAHRVDU-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.22
Rot. Bonds5

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

4-amino-5-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 79223369) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-amino-5-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID79223369
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name4-amino-5-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)NCc2c(C)nn(C)c2C)c1N
InChIInChI=1S/C14H22N6O/c1-5-6-11-12(15)13(18-17-11)14(21)16-7-10-8(2)19-20(4)9(10)3/h5-7,15H2,1-4H3,(H,16,21)(H,17,18)
InChIKeyQHIGJXFLAHRVDU-UHFFFAOYSA-N
XLogP1.22
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide (CID 79223369) is 4-amino-5-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide is CCCc1[nH]nc(C(=O)NCc2c(C)nn(C)c2C)c1N.
What is the InChIKey of 4-amino-5-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is QHIGJXFLAHRVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-5-6-11-12(15)13(18-17-11)14(21)16-7-10-8(2)19-20(4)9(10)3/h5-7,15H2,1-4H3,(H,16,21)(H,17,18).
What are the key properties of 4-amino-5-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide?
4-amino-5-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 1.22, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 79223369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).