(2S)-2-cyclopropyl-1-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-yl)propan-1-one

C14H21N3O — CID 164643197

IUPAC(2S)-2-cyclopropyl-1-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-yl)propan-1-one
SMILESC[C@H](C(=O)N1Cc2cn[nH]c2C(C)(C)C1)C1CC1
InChIInChI=1S/C14H21N3O/c1-9(10-4-5-10)13(18)17-7-11-6-15-16-12(11)14(2,3)8-17/h6,9-10H,4-5,7-8H2,1-3H3,(H,15,16)/t9-/m0/s1
InChIKeyFBZAAIKWVKVPRS-VIFPVBQESA-N
MW247.34 g/mol
LogP2.08
Rot. Bonds2

About (2S)-2-cyclopropyl-1-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-yl)propan-1-one

(2S)-2-cyclopropyl-1-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-yl)propan-1-one (PubChem CID 164643197) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (2S)-2-cyclopropyl-1-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-cyclopropyl-1-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-yl)propan-1-one
PubChem CID164643197
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(2S)-2-cyclopropyl-1-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-yl)propan-1-one
SMILESC[C@H](C(=O)N1Cc2cn[nH]c2C(C)(C)C1)C1CC1
InChIInChI=1S/C14H21N3O/c1-9(10-4-5-10)13(18)17-7-11-6-15-16-12(11)14(2,3)8-17/h6,9-10H,4-5,7-8H2,1-3H3,(H,15,16)/t9-/m0/s1
InChIKeyFBZAAIKWVKVPRS-VIFPVBQESA-N
XLogP2.08
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-cyclopropyl-1-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-yl)propan-1-one with MolForge

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Related Compounds

tert-Butyl 7,7-dimethyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylate
CID 37818370
cyclobutyl-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 73439424
(1S)-2,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 136580628
1-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-yl)-2-[(2R)-oxolan-2-yl]ethanone
CID 164636828
2,2,2-Trifluoro-1-{2h,4h,5h,6h,7h-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one
CID 130973462
2,2-difluoro-1-{2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one
CID 131204220
2-[Methyl(2,2,2-trifluoroethyl)amino]-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propan-1-one
CID 132304952
1-(3-cyclohexen-1-ylcarbonyl)-3-(4-ethyl-1H-pyrazol-5-yl)piperidine
CID 45243605
1-(2-methoxyethyl)-4-(2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-ylmethyl)pyrrolidin-2-one
CID 118762548
4-methyl-1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pentane-1,2-dione
CID 126466194
1-{2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one
CID 20784618
2,2-Dimethyl-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propan-1-one
CID 20784713

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopropyl-1-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-yl)propan-1-one?
The IUPAC name of (2S)-2-cyclopropyl-1-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-yl)propan-1-one (CID 164643197) is (2S)-2-cyclopropyl-1-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-yl)propan-1-one.
What is the SMILES notation for (2S)-2-cyclopropyl-1-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-yl)propan-1-one?
The canonical SMILES for (2S)-2-cyclopropyl-1-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-yl)propan-1-one is C[C@H](C(=O)N1Cc2cn[nH]c2C(C)(C)C1)C1CC1.
What is the InChIKey of (2S)-2-cyclopropyl-1-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-yl)propan-1-one?
The InChIKey is FBZAAIKWVKVPRS-VIFPVBQESA-N. The full InChI is InChI=1S/C14H21N3O/c1-9(10-4-5-10)13(18)17-7-11-6-15-16-12(11)14(2,3)8-17/h6,9-10H,4-5,7-8H2,1-3H3,(H,15,16)/t9-/m0/s1.
What are the key properties of (2S)-2-cyclopropyl-1-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-yl)propan-1-one?
(2S)-2-cyclopropyl-1-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-yl)propan-1-one has a molecular weight of 247.34 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopropyl-1-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-yl)propan-1-one is sourced from PubChem (CID 164643197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).