(4-cyclopropyl-1,4-diazepan-1-yl)-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methanone

C16H24N4O — CID 171648915

IUPAC(4-cyclopropyl-1,4-diazepan-1-yl)-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methanone
SMILESCn1nc2c(c1C(=O)N1CCCN(C3CC3)CC1)CCC2
InChIInChI=1S/C16H24N4O/c1-18-15(13-4-2-5-14(13)17-18)16(21)20-9-3-8-19(10-11-20)12-6-7-12/h12H,2-11H2,1H3
InChIKeyOKYLEVQUQFEOGT-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.22
Rot. Bonds2

About (4-cyclopropyl-1,4-diazepan-1-yl)-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methanone

(4-cyclopropyl-1,4-diazepan-1-yl)-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methanone (PubChem CID 171648915) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is (4-cyclopropyl-1,4-diazepan-1-yl)-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methanone.

Molecular Properties

Compound Name(4-cyclopropyl-1,4-diazepan-1-yl)-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methanone
PubChem CID171648915
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name(4-cyclopropyl-1,4-diazepan-1-yl)-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methanone
SMILESCn1nc2c(c1C(=O)N1CCCN(C3CC3)CC1)CCC2
InChIInChI=1S/C16H24N4O/c1-18-15(13-4-2-5-14(13)17-18)16(21)20-9-3-8-19(10-11-20)12-6-7-12/h12H,2-11H2,1H3
InChIKeyOKYLEVQUQFEOGT-UHFFFAOYSA-N
XLogP1.22
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid
CID 15008414
2-methoxy-1-[4-[1-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)piperidin-4-yl]piperidin-1-yl]ethanone
CID 154818159
[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
CID 154569986
[4-(4-methoxyphenoxy)piperidin-1-yl]-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
CID 70738118
2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonyl chloride
CID 15135402
[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
CID 118783319
(3-cyclopropyl-1,1-dioxo-1,4-thiazepan-4-yl)-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methanone
CID 136567193
[4-(1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl]-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
CID 163311949
8-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 118788671
N-methyl-6-[(3S)-1-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)piperidin-3-yl]pyridine-3-carboxamide
CID 92621895
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-1,3-dimethylpyrazol-5-yl)methanone
CID 66122825
(4-amino-1,3-dimethylpyrazol-5-yl)-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone
CID 66122826

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-1,4-diazepan-1-yl)-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methanone?
The IUPAC name of (4-cyclopropyl-1,4-diazepan-1-yl)-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methanone (CID 171648915) is (4-cyclopropyl-1,4-diazepan-1-yl)-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methanone.
What is the SMILES notation for (4-cyclopropyl-1,4-diazepan-1-yl)-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methanone?
The canonical SMILES for (4-cyclopropyl-1,4-diazepan-1-yl)-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methanone is Cn1nc2c(c1C(=O)N1CCCN(C3CC3)CC1)CCC2.
What is the InChIKey of (4-cyclopropyl-1,4-diazepan-1-yl)-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methanone?
The InChIKey is OKYLEVQUQFEOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-18-15(13-4-2-5-14(13)17-18)16(21)20-9-3-8-19(10-11-20)12-6-7-12/h12H,2-11H2,1H3.
What are the key properties of (4-cyclopropyl-1,4-diazepan-1-yl)-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methanone?
(4-cyclopropyl-1,4-diazepan-1-yl)-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methanone has a molecular weight of 288.40 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-1,4-diazepan-1-yl)-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methanone is sourced from PubChem (CID 171648915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).