N-[(1-propylpyrazol-4-yl)methyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide

C12H15N9O — CID 91789362

IUPACN-[(1-propylpyrazol-4-yl)methyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide
SMILESCCCn1cc(CNC(=O)c2cn[nH]c2-n2cnnn2)cn1
InChIInChI=1S/C12H15N9O/c1-2-3-20-7-9(5-16-20)4-13-12(22)10-6-14-17-11(10)21-8-15-18-19-21/h5-8H,2-4H2,1H3,(H,13,22)(H,14,17)
InChIKeyKKLDPIPWISFXIK-UHFFFAOYSA-N
MW301.31 g/mol
LogP-0.08
Rot. Bonds6

About N-[(1-propylpyrazol-4-yl)methyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide

N-[(1-propylpyrazol-4-yl)methyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide (PubChem CID 91789362) has the molecular formula C12H15N9O and a molecular weight of 301.31 g/mol. Its IUPAC name is N-[(1-propylpyrazol-4-yl)methyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-propylpyrazol-4-yl)methyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide
PubChem CID91789362
Molecular FormulaC12H15N9O
Molecular Weight301.31 g/mol
Exact Mass301.14
IUPAC NameN-[(1-propylpyrazol-4-yl)methyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide
SMILESCCCn1cc(CNC(=O)c2cn[nH]c2-n2cnnn2)cn1
InChIInChI=1S/C12H15N9O/c1-2-3-20-7-9(5-16-20)4-13-12(22)10-6-14-17-11(10)21-8-15-18-19-21/h5-8H,2-4H2,1H3,(H,13,22)(H,14,17)
InChIKeyKKLDPIPWISFXIK-UHFFFAOYSA-N
XLogP-0.08
TPSA119.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-(3-methoxyphenyl)-N-[(1-propylpyrazol-4-yl)methyl]-1H-pyrazole-4-carboxamide
CID 70760642
N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide
CID 91787581
N-[(1-propylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)aniline
CID 103825560
N-[(1-propylpyrazol-4-yl)methyl]-3-(tetrazol-1-yl)aniline
CID 103818160
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide
CID 77094882
N-ethyl-1-[5-(tetrazol-1-yl)-1H-pyrazole-4-carbonyl]pyrrolidine-3-carboxamide
CID 91765551
N-[(1-ethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide
CID 19474824
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide
CID 91778058
2-methyl-2-[(1-propylpyrazol-4-yl)methylamino]propanamide
CID 103571495
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide
CID 56884552
N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide
CID 56902109
2-[(1-propylpyrazol-4-yl)methylamino]ethylurea
CID 103571628

Frequently Asked Questions

What is the IUPAC name of N-[(1-propylpyrazol-4-yl)methyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(1-propylpyrazol-4-yl)methyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide (CID 91789362) is N-[(1-propylpyrazol-4-yl)methyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(1-propylpyrazol-4-yl)methyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(1-propylpyrazol-4-yl)methyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide is CCCn1cc(CNC(=O)c2cn[nH]c2-n2cnnn2)cn1.
What is the InChIKey of N-[(1-propylpyrazol-4-yl)methyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is KKLDPIPWISFXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N9O/c1-2-3-20-7-9(5-16-20)4-13-12(22)10-6-14-17-11(10)21-8-15-18-19-21/h5-8H,2-4H2,1H3,(H,13,22)(H,14,17).
What are the key properties of N-[(1-propylpyrazol-4-yl)methyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide?
N-[(1-propylpyrazol-4-yl)methyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 301.31 g/mol, XLogP of -0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propylpyrazol-4-yl)methyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 91789362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).