1-methyl-4-[[1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carbonyl]amino]-N-propylpyrazole-5-carboxamide

C20H22N10O2 — CID 4775206

IUPAC1-methyl-4-[[1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carbonyl]amino]-N-propylpyrazole-5-carboxamide
SMILESCCCNC(=O)c1c(NC(=O)c2ccn(Cn3nnc(-c4ccccc4)n3)n2)cnn1C
InChIInChI=1S/C20H22N10O2/c1-3-10-21-20(32)17-16(12-22-28(17)2)23-19(31)15-9-11-29(25-15)13-30-26-18(24-27-30)14-7-5-4-6-8-14/h4-9,11-12H,3,10,13H2,1-2H3,(H,21,32)(H,23,31)
InChIKeyBNPHDTPRDWXKEI-UHFFFAOYSA-N
MW434.46 g/mol
LogP1.17
Rot. Bonds8

About 1-methyl-4-[[1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carbonyl]amino]-N-propylpyrazole-5-carboxamide

1-methyl-4-[[1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carbonyl]amino]-N-propylpyrazole-5-carboxamide (PubChem CID 4775206) has the molecular formula C20H22N10O2 and a molecular weight of 434.46 g/mol. Its IUPAC name is 1-methyl-4-[[1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carbonyl]amino]-N-propylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-4-[[1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carbonyl]amino]-N-propylpyrazole-5-carboxamide
PubChem CID4775206
Molecular FormulaC20H22N10O2
Molecular Weight434.46 g/mol
Exact Mass434.19
IUPAC Name1-methyl-4-[[1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carbonyl]amino]-N-propylpyrazole-5-carboxamide
SMILESCCCNC(=O)c1c(NC(=O)c2ccn(Cn3nnc(-c4ccccc4)n3)n2)cnn1C
InChIInChI=1S/C20H22N10O2/c1-3-10-21-20(32)17-16(12-22-28(17)2)23-19(31)15-9-11-29(25-15)13-30-26-18(24-27-30)14-7-5-4-6-8-14/h4-9,11-12H,3,10,13H2,1-2H3,(H,21,32)(H,23,31)
InChIKeyBNPHDTPRDWXKEI-UHFFFAOYSA-N
XLogP1.17
TPSA137.44 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

1-[(5-phenyltetrazol-2-yl)methyl]-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 19268917
N-(1-methylpyrazol-3-yl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide
CID 19269125
4-[[1-[(4-bromophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide
CID 19396359
N-(2,3,4,5,6-pentafluorophenyl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide
CID 4867083
1-[(5-phenyltetrazol-2-yl)methyl]-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide
CID 19269179
4-[(1-ethylpyrazole-3-carbonyl)amino]-1-methylpyrazole-5-carboxylic acid
CID 19405969
N-(1-methylpiperidin-4-yl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide
CID 19269078
1-methyl-4-[(2-methylbenzoyl)amino]-N-propylpyrazole-5-carboxamide
CID 4865439
N-(3,4-difluorophenyl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide
CID 4867261
1-methyl-N-propyl-4-[[3-(pyrazol-1-ylmethyl)benzoyl]amino]pyrazole-5-carboxamide
CID 19396361
N-[2-(difluoromethoxy)-4-methylphenyl]-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide
CID 19269050
N-(4-nitrophenyl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide
CID 19268913

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carbonyl]amino]-N-propylpyrazole-5-carboxamide?
The IUPAC name of 1-methyl-4-[[1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carbonyl]amino]-N-propylpyrazole-5-carboxamide (CID 4775206) is 1-methyl-4-[[1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carbonyl]amino]-N-propylpyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-4-[[1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carbonyl]amino]-N-propylpyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-4-[[1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carbonyl]amino]-N-propylpyrazole-5-carboxamide is CCCNC(=O)c1c(NC(=O)c2ccn(Cn3nnc(-c4ccccc4)n3)n2)cnn1C.
What is the InChIKey of 1-methyl-4-[[1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carbonyl]amino]-N-propylpyrazole-5-carboxamide?
The InChIKey is BNPHDTPRDWXKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N10O2/c1-3-10-21-20(32)17-16(12-22-28(17)2)23-19(31)15-9-11-29(25-15)13-30-26-18(24-27-30)14-7-5-4-6-8-14/h4-9,11-12H,3,10,13H2,1-2H3,(H,21,32)(H,23,31).
What are the key properties of 1-methyl-4-[[1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carbonyl]amino]-N-propylpyrazole-5-carboxamide?
1-methyl-4-[[1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carbonyl]amino]-N-propylpyrazole-5-carboxamide has a molecular weight of 434.46 g/mol, XLogP of 1.17, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carbonyl]amino]-N-propylpyrazole-5-carboxamide is sourced from PubChem (CID 4775206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).