N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide

C12H15N9O — CID 125436117

IUPACN-[(2S)-2-(4-methylpyrazol-1-yl)propyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide
SMILESCc1cnn([C@@H](C)CNC(=O)c2cn[nH]c2-n2cnnn2)c1
InChIInChI=1S/C12H15N9O/c1-8-3-16-20(6-8)9(2)4-13-12(22)10-5-14-17-11(10)21-7-15-18-19-21/h3,5-7,9H,4H2,1-2H3,(H,13,22)(H,14,17)/t9-/m0/s1
InChIKeyXRPILFWIPOVIHH-VIFPVBQESA-N
MW301.31 g/mol
LogP-0.12
Rot. Bonds5

About N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide

N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide (PubChem CID 125436117) has the molecular formula C12H15N9O and a molecular weight of 301.31 g/mol. Its IUPAC name is N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-methylpyrazol-1-yl)propyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide
PubChem CID125436117
Molecular FormulaC12H15N9O
Molecular Weight301.31 g/mol
Exact Mass301.14
IUPAC NameN-[(2S)-2-(4-methylpyrazol-1-yl)propyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide
SMILESCc1cnn([C@@H](C)CNC(=O)c2cn[nH]c2-n2cnnn2)c1
InChIInChI=1S/C12H15N9O/c1-8-3-16-20(6-8)9(2)4-13-12(22)10-5-14-17-11(10)21-7-15-18-19-21/h3,5-7,9H,4H2,1-2H3,(H,13,22)(H,14,17)/t9-/m0/s1
InChIKeyXRPILFWIPOVIHH-VIFPVBQESA-N
XLogP-0.12
TPSA119.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide (CID 125436117) is N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide is Cc1cnn([C@@H](C)CNC(=O)c2cn[nH]c2-n2cnnn2)c1.
What is the InChIKey of N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is XRPILFWIPOVIHH-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15N9O/c1-8-3-16-20(6-8)9(2)4-13-12(22)10-5-14-17-11(10)21-7-15-18-19-21/h3,5-7,9H,4H2,1-2H3,(H,13,22)(H,14,17)/t9-/m0/s1.
What are the key properties of N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide?
N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 301.31 g/mol, XLogP of -0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 125436117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).