N-(cyclopropylmethyl)-2,5-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]pyrazole-3-carboxamide

C16H26N4O2 — CID 129003814

IUPACN-(cyclopropylmethyl)-2,5-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(CC2CC2)CC2CN(C)CCO2)n(C)n1
InChIInChI=1S/C16H26N4O2/c1-12-8-15(19(3)17-12)16(21)20(9-13-4-5-13)11-14-10-18(2)6-7-22-14/h8,13-14H,4-7,9-11H2,1-3H3
InChIKeyFVQXTYQMNSUHHV-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.91
Rot. Bonds5

About N-(cyclopropylmethyl)-2,5-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]pyrazole-3-carboxamide

N-(cyclopropylmethyl)-2,5-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]pyrazole-3-carboxamide (PubChem CID 129003814) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2,5-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2,5-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]pyrazole-3-carboxamide
PubChem CID129003814
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-(cyclopropylmethyl)-2,5-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(CC2CC2)CC2CN(C)CCO2)n(C)n1
InChIInChI=1S/C16H26N4O2/c1-12-8-15(19(3)17-12)16(21)20(9-13-4-5-13)11-14-10-18(2)6-7-22-14/h8,13-14H,4-7,9-11H2,1-3H3
InChIKeyFVQXTYQMNSUHHV-UHFFFAOYSA-N
XLogP0.91
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[cyclopropylmethyl-[(4-methylmorpholin-2-yl)methyl]carbamoyl]-4-methylbenzoic acid
CID 146141590
N-(cyclopropylmethyl)-4-fluoro-2-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzamide
CID 129478586
N-(cyclopropylmethyl)-3-ethyl-1-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]pyrazole-4-carboxamide
CID 129331504
N-(cyclopropylmethyl)-5-ethyl-3-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]furan-2-carboxamide
CID 129332923
N-(cyclopropylmethyl)-2-fluoro-5-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzamide
CID 129478726
N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1H-pyrazole-4-carboxamide
CID 129478448
N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 129335888
N-(cyclopropylmethyl)-5-(dimethylamino)-N-[(4-methylmorpholin-2-yl)methyl]pyrazine-2-carboxamide
CID 127976011
N-(cyclopropylmethyl)-5-fluoro-N-[[(2R)-4-methylmorpholin-2-yl]methyl]pyridine-2-carboxamide
CID 129478828
2-acetamido-N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]acetamide
CID 129342815
1-(cyclopropylmethyl)-3-(2-imidazol-1-ylethyl)-1-[(4-methylmorpholin-2-yl)methyl]urea
CID 128997935
(2R)-N-(cyclopropylmethyl)-2-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]-2-phenylacetamide
CID 128970007

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2,5-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2,5-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]pyrazole-3-carboxamide (CID 129003814) is N-(cyclopropylmethyl)-2,5-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2,5-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2,5-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]pyrazole-3-carboxamide is Cc1cc(C(=O)N(CC2CC2)CC2CN(C)CCO2)n(C)n1.
What is the InChIKey of N-(cyclopropylmethyl)-2,5-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is FVQXTYQMNSUHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-12-8-15(19(3)17-12)16(21)20(9-13-4-5-13)11-14-10-18(2)6-7-22-14/h8,13-14H,4-7,9-11H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-2,5-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]pyrazole-3-carboxamide?
N-(cyclopropylmethyl)-2,5-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 0.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2,5-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 129003814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).