cyclopropyl(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone

C10H13N3O — CID 20784921

IUPACcyclopropyl(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(C1CC1)N1CCc2[nH]ncc2C1
InChIInChI=1S/C10H13N3O/c14-10(7-1-2-7)13-4-3-9-8(6-13)5-11-12-9/h5,7H,1-4,6H2,(H,11,12)
InChIKeyDEFAGMIJPGZQMZ-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.70
Rot. Bonds1

About cyclopropyl(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone

cyclopropyl(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone (PubChem CID 20784921) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is cyclopropyl(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Namecyclopropyl(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
PubChem CID20784921
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Namecyclopropyl(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(C1CC1)N1CCc2[nH]ncc2C1
InChIInChI=1S/C10H13N3O/c14-10(7-1-2-7)13-4-3-9-8(6-13)5-11-12-9/h5,7H,1-4,6H2,(H,11,12)
InChIKeyDEFAGMIJPGZQMZ-UHFFFAOYSA-N
XLogP0.70
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Boc-1,4,6,7-tetrahydropyrazolo[4,3-C]pyridine
CID 10398680
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[(7R)-7-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 126527256
4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 2760583
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[(7S)-7-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 126527165
5-methyl-1H,4H,5H,6H,7H-pyrazolo(4,3-c)pyridine
CID 20825790
1-(cyclopropylmethyl)-3-hydroxy-3-(1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-ylmethyl)-2-piperidinone
CID 45210551
cyclobutyl-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 73439424
1H,4H,5H,6H,7H-pyrazolo(4,3-c)pyridin-4-one hydrochloride
CID 154853251
1,4,6,7-Tetrahydropyrazolo[5,4-c]pyridin-5-one
CID 135026570
methyl N-[(2S)-1-oxo-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propan-2-yl]carbamate
CID 100066220
(2S)-2-cyclopropyl-1-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-yl)propan-1-one
CID 164643197
1,5,6,7-Tetrahydro-4H-pyrazolo[4,3-C]pyridin-4-one
CID 69271684

Frequently Asked Questions

What is the IUPAC name of cyclopropyl(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of cyclopropyl(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone (CID 20784921) is cyclopropyl(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for cyclopropyl(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for cyclopropyl(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone is O=C(C1CC1)N1CCc2[nH]ncc2C1.
What is the InChIKey of cyclopropyl(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is DEFAGMIJPGZQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c14-10(7-1-2-7)13-4-3-9-8(6-13)5-11-12-9/h5,7H,1-4,6H2,(H,11,12).
What are the key properties of cyclopropyl(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
cyclopropyl(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 191.23 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 20784921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).