4-(cyclopropylmethyl)-3-propan-2-yl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-1,4-diazepan-5-one

C19H28N4O2 — CID 56871303

IUPAC4-(cyclopropylmethyl)-3-propan-2-yl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-1,4-diazepan-5-one
SMILESCC(C)C1CN(C(=O)c2n[nH]c3c2CCC3)CCC(=O)N1CC1CC1
InChIInChI=1S/C19H28N4O2/c1-12(2)16-11-22(9-8-17(24)23(16)10-13-6-7-13)19(25)18-14-4-3-5-15(14)20-21-18/h12-13,16H,3-11H2,1-2H3,(H,20,21)
InChIKeyAUQXAAUZAADMNT-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.01
Rot. Bonds4

About 4-(cyclopropylmethyl)-3-propan-2-yl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-1,4-diazepan-5-one

4-(cyclopropylmethyl)-3-propan-2-yl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-1,4-diazepan-5-one (PubChem CID 56871303) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-3-propan-2-yl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-1,4-diazepan-5-one.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-3-propan-2-yl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-1,4-diazepan-5-one
PubChem CID56871303
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name4-(cyclopropylmethyl)-3-propan-2-yl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-1,4-diazepan-5-one
SMILESCC(C)C1CN(C(=O)c2n[nH]c3c2CCC3)CCC(=O)N1CC1CC1
InChIInChI=1S/C19H28N4O2/c1-12(2)16-11-22(9-8-17(24)23(16)10-13-6-7-13)19(25)18-14-4-3-5-15(14)20-21-18/h12-13,16H,3-11H2,1-2H3,(H,20,21)
InChIKeyAUQXAAUZAADMNT-UHFFFAOYSA-N
XLogP2.01
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxamide
CID 44229278
4-(cyclopropylmethyl)-1-[(3-cyclopropyl-1H-pyrazol-5-yl)carbonyl]-3-isopropyl-1,4-diazepan-5-one
CID 56873805
4-(cyclopropylmethyl)-3-isopropyl-1-[(3-propyl-1H-pyrazol-5-yl)carbonyl]-1,4-diazepan-5-one
CID 56871974
N-(Propan-2-YL)-1H,4H,5H,6H,7H,8H,9H-cycloocta[C]pyrazole-3-carboxamide
CID 53017383
N-Cyclopropyl-1H,4H,5H,6H,7H,8H,9H-cycloocta[C]pyrazole-3-carboxamide
CID 53017410
4-ethyl-2-methyl-5-{[1-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylcarbonyl)piperidin-4-yl]methyl}-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56745641
N-{[(2S,4S)-4-fluoro-1-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylcarbonyl)pyrrolidin-2-yl]methyl}cyclohexanecarboxamide
CID 70730025
N-(cyclobutylmethyl)-N-(2,2,2-trifluoroethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 71862019
(4-chloro-5-cyclopropyl-1H-pyrazol-3-yl)-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 75378808
N-[1-(aminomethyl)cyclopentyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 75513734
4-(4-chloro-5-cyclopropyl-1H-pyrazole-3-carbonyl)-1-ethyl-1,4-diazepan-2-one
CID 86806266
(6S)-2-(3-methylbutyl)-8-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96365393

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-3-propan-2-yl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-1,4-diazepan-5-one?
The IUPAC name of 4-(cyclopropylmethyl)-3-propan-2-yl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-1,4-diazepan-5-one (CID 56871303) is 4-(cyclopropylmethyl)-3-propan-2-yl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-1,4-diazepan-5-one.
What is the SMILES notation for 4-(cyclopropylmethyl)-3-propan-2-yl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-1,4-diazepan-5-one?
The canonical SMILES for 4-(cyclopropylmethyl)-3-propan-2-yl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-1,4-diazepan-5-one is CC(C)C1CN(C(=O)c2n[nH]c3c2CCC3)CCC(=O)N1CC1CC1.
What is the InChIKey of 4-(cyclopropylmethyl)-3-propan-2-yl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-1,4-diazepan-5-one?
The InChIKey is AUQXAAUZAADMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-12(2)16-11-22(9-8-17(24)23(16)10-13-6-7-13)19(25)18-14-4-3-5-15(14)20-21-18/h12-13,16H,3-11H2,1-2H3,(H,20,21).
What are the key properties of 4-(cyclopropylmethyl)-3-propan-2-yl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-1,4-diazepan-5-one?
4-(cyclopropylmethyl)-3-propan-2-yl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-1,4-diazepan-5-one has a molecular weight of 344.46 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-3-propan-2-yl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-1,4-diazepan-5-one is sourced from PubChem (CID 56871303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).