1-methyl-N-pyridin-3-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide

C12H13N5O — CID 146144583

IUPAC1-methyl-N-pyridin-3-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
SMILESCn1ncc2c1CN(C(=O)Nc1cccnc1)C2
InChIInChI=1S/C12H13N5O/c1-16-11-8-17(7-9(11)5-14-16)12(18)15-10-3-2-4-13-6-10/h2-6H,7-8H2,1H3,(H,15,18)
InChIKeyMEKMNPHROOSTHX-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.36
Rot. Bonds1

About 1-methyl-N-pyridin-3-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide

1-methyl-N-pyridin-3-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide (PubChem CID 146144583) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is 1-methyl-N-pyridin-3-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-pyridin-3-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
PubChem CID146144583
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name1-methyl-N-pyridin-3-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
SMILESCn1ncc2c1CN(C(=O)Nc1cccnc1)C2
InChIInChI=1S/C12H13N5O/c1-16-11-8-17(7-9(11)5-14-16)12(18)15-10-3-2-4-13-6-10/h2-6H,7-8H2,1H3,(H,15,18)
InChIKeyMEKMNPHROOSTHX-UHFFFAOYSA-N
XLogP1.36
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 3370606
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4-amino-1-methyl-N-pyridin-3-ylpyrazole-5-carboxamide
CID 65355553
1-methylpyrrolidine;pyridin-3-ylurea
CID 143564599
1-(2-methylpyrazol-3-yl)-3-pyridin-3-ylurea
CID 108813744
4-(bromomethylidene)-N-pyridin-3-ylpiperidine-1-carboxamide
CID 66883942
N-pyridin-3-yl-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 47050086
4-(1-methyl-5-phenylpyrazole-3-carbonyl)-N-pyridin-3-ylpiperazine-1-carboxamide
CID 164898189
(3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-pyridin-3-ylpiperazine-1-carboxamide
CID 129472974
4-[cyclobutyl(methylsulfonyl)amino]-N-pyridin-3-ylazepane-1-carboxamide
CID 129004395
(3R)-3-(4-methoxyphenyl)-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 94824028
1-tert-butyl-N-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide
CID 108781376

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-pyridin-3-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-pyridin-3-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide (CID 146144583) is 1-methyl-N-pyridin-3-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-pyridin-3-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-pyridin-3-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide is Cn1ncc2c1CN(C(=O)Nc1cccnc1)C2.
What is the InChIKey of 1-methyl-N-pyridin-3-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?
The InChIKey is MEKMNPHROOSTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c1-16-11-8-17(7-9(11)5-14-16)12(18)15-10-3-2-4-13-6-10/h2-6H,7-8H2,1H3,(H,15,18).
What are the key properties of 1-methyl-N-pyridin-3-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?
1-methyl-N-pyridin-3-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-pyridin-3-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide is sourced from PubChem (CID 146144583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).