[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone

C19H30N4O — CID 56869092

IUPAC[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
SMILESCC(C)C1CN(C(=O)c2n[nH]c3c2CCC3)CCCN1CC1CC1
InChIInChI=1S/C19H30N4O/c1-13(2)17-12-23(10-4-9-22(17)11-14-7-8-14)19(24)18-15-5-3-6-16(15)20-21-18/h13-14,17H,3-12H2,1-2H3,(H,20,21)
InChIKeyVPSDPNBLPOPHFU-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.48
Rot. Bonds4

About [4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone

[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone (PubChem CID 56869092) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is [4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
PubChem CID56869092
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
SMILESCC(C)C1CN(C(=O)c2n[nH]c3c2CCC3)CCCN1CC1CC1
InChIInChI=1S/C19H30N4O/c1-13(2)17-12-23(10-4-9-22(17)11-14-7-8-14)19(24)18-15-5-3-6-16(15)20-21-18/h13-14,17H,3-12H2,1-2H3,(H,20,21)
InChIKeyVPSDPNBLPOPHFU-UHFFFAOYSA-N
XLogP2.48
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
The IUPAC name of [4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone (CID 56869092) is [4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone.
What is the SMILES notation for [4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
The canonical SMILES for [4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone is CC(C)C1CN(C(=O)c2n[nH]c3c2CCC3)CCCN1CC1CC1.
What is the InChIKey of [4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
The InChIKey is VPSDPNBLPOPHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-13(2)17-12-23(10-4-9-22(17)11-14-7-8-14)19(24)18-15-5-3-6-16(15)20-21-18/h13-14,17H,3-12H2,1-2H3,(H,20,21).
What are the key properties of [4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone has a molecular weight of 330.48 g/mol, XLogP of 2.48, 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-1,4-diazepan-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone is sourced from PubChem (CID 56869092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).