N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methylmorpholine-2-carboxamide

C15H24N4O2 — CID 56899409

IUPACN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methylmorpholine-2-carboxamide
SMILESCN(Cc1n[nH]c2c1CCCCC2)C(=O)C1CNCCO1
InChIInChI=1S/C15H24N4O2/c1-19(15(20)14-9-16-7-8-21-14)10-13-11-5-3-2-4-6-12(11)17-18-13/h14,16H,2-10H2,1H3,(H,17,18)
InChIKeyJYUNVVMFUQKBGD-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.63
Rot. Bonds3

About N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methylmorpholine-2-carboxamide

N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methylmorpholine-2-carboxamide (PubChem CID 56899409) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methylmorpholine-2-carboxamide.

Molecular Properties

Compound NameN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methylmorpholine-2-carboxamide
PubChem CID56899409
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methylmorpholine-2-carboxamide
SMILESCN(Cc1n[nH]c2c1CCCCC2)C(=O)C1CNCCO1
InChIInChI=1S/C15H24N4O2/c1-19(15(20)14-9-16-7-8-21-14)10-13-11-5-3-2-4-6-12(11)17-18-13/h14,16H,2-10H2,1H3,(H,17,18)
InChIKeyJYUNVVMFUQKBGD-UHFFFAOYSA-N
XLogP0.63
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methylmorpholine-2-carboxamide?
The IUPAC name of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methylmorpholine-2-carboxamide (CID 56899409) is N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methylmorpholine-2-carboxamide.
What is the SMILES notation for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methylmorpholine-2-carboxamide?
The canonical SMILES for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methylmorpholine-2-carboxamide is CN(Cc1n[nH]c2c1CCCCC2)C(=O)C1CNCCO1.
What is the InChIKey of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methylmorpholine-2-carboxamide?
The InChIKey is JYUNVVMFUQKBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-19(15(20)14-9-16-7-8-21-14)10-13-11-5-3-2-4-6-12(11)17-18-13/h14,16H,2-10H2,1H3,(H,17,18).
What are the key properties of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methylmorpholine-2-carboxamide?
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methylmorpholine-2-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methylmorpholine-2-carboxamide is sourced from PubChem (CID 56899409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).