N-ethyl-4-[5-[(2-methoxyphenyl)carbamoylamino]pyrazol-1-yl]piperidine-1-carboxamide

C19H26N6O3 — CID 42513641

IUPACN-ethyl-4-[5-[(2-methoxyphenyl)carbamoylamino]pyrazol-1-yl]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(n2nccc2NC(=O)Nc2ccccc2OC)CC1
InChIInChI=1S/C19H26N6O3/c1-3-20-19(27)24-12-9-14(10-13-24)25-17(8-11-21-25)23-18(26)22-15-6-4-5-7-16(15)28-2/h4-8,11,14H,3,9-10,12-13H2,1-2H3,(H,20,27)(H2,22,23,26)
InChIKeyDRRDSWOXKKOFOE-UHFFFAOYSA-N
MW386.46 g/mol
LogP2.90
Rot. Bonds5

About N-ethyl-4-[5-[(2-methoxyphenyl)carbamoylamino]pyrazol-1-yl]piperidine-1-carboxamide

N-ethyl-4-[5-[(2-methoxyphenyl)carbamoylamino]pyrazol-1-yl]piperidine-1-carboxamide (PubChem CID 42513641) has the molecular formula C19H26N6O3 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-ethyl-4-[5-[(2-methoxyphenyl)carbamoylamino]pyrazol-1-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[5-[(2-methoxyphenyl)carbamoylamino]pyrazol-1-yl]piperidine-1-carboxamide
PubChem CID42513641
Molecular FormulaC19H26N6O3
Molecular Weight386.46 g/mol
Exact Mass386.21
IUPAC NameN-ethyl-4-[5-[(2-methoxyphenyl)carbamoylamino]pyrazol-1-yl]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(n2nccc2NC(=O)Nc2ccccc2OC)CC1
InChIInChI=1S/C19H26N6O3/c1-3-20-19(27)24-12-9-14(10-13-24)25-17(8-11-21-25)23-18(26)22-15-6-4-5-7-16(15)28-2/h4-8,11,14H,3,9-10,12-13H2,1-2H3,(H,20,27)(H2,22,23,26)
InChIKeyDRRDSWOXKKOFOE-UHFFFAOYSA-N
XLogP2.90
TPSA100.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea
CID 56742934
1-[2-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea
CID 25453482
1-(2-methoxyphenyl)-3-[2-[1-(2-oxopropanoyl)piperidin-4-yl]pyrazol-3-yl]urea
CID 56756469
1-(2-methoxyphenyl)-3-[2-[1-(2-piperidin-1-ylacetyl)piperidin-4-yl]pyrazol-3-yl]urea
CID 26336813
1-(2-methoxyphenyl)-3-[2-[1-(3-pyridin-4-ylpropanoyl)piperidin-4-yl]pyrazol-3-yl]urea
CID 25289876
1-(2-methoxyphenyl)-3-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea
CID 24819333
1-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea
CID 26391328
1-[2-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea
CID 26396065
1-(2-methoxyphenyl)-3-[2-[1-[(2S)-1-phenoxypropan-2-yl]piperidin-4-yl]pyrazol-3-yl]urea
CID 26336058
1-(2-methoxyphenyl)-3-[2-[1-(3-phenylbutyl)piperidin-4-yl]pyrazol-3-yl]urea
CID 45242231
1-(2-chlorophenyl)-3-[2-(1-propanoylpiperidin-4-yl)pyrazol-3-yl]urea
CID 56747961
N-(2-ethylphenyl)-4-[5-[(4-methoxybenzoyl)amino]pyrazol-1-yl]piperidine-1-carboxamide
CID 42567750

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[5-[(2-methoxyphenyl)carbamoylamino]pyrazol-1-yl]piperidine-1-carboxamide?
The IUPAC name of N-ethyl-4-[5-[(2-methoxyphenyl)carbamoylamino]pyrazol-1-yl]piperidine-1-carboxamide (CID 42513641) is N-ethyl-4-[5-[(2-methoxyphenyl)carbamoylamino]pyrazol-1-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-[5-[(2-methoxyphenyl)carbamoylamino]pyrazol-1-yl]piperidine-1-carboxamide?
The canonical SMILES for N-ethyl-4-[5-[(2-methoxyphenyl)carbamoylamino]pyrazol-1-yl]piperidine-1-carboxamide is CCNC(=O)N1CCC(n2nccc2NC(=O)Nc2ccccc2OC)CC1.
What is the InChIKey of N-ethyl-4-[5-[(2-methoxyphenyl)carbamoylamino]pyrazol-1-yl]piperidine-1-carboxamide?
The InChIKey is DRRDSWOXKKOFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O3/c1-3-20-19(27)24-12-9-14(10-13-24)25-17(8-11-21-25)23-18(26)22-15-6-4-5-7-16(15)28-2/h4-8,11,14H,3,9-10,12-13H2,1-2H3,(H,20,27)(H2,22,23,26).
What are the key properties of N-ethyl-4-[5-[(2-methoxyphenyl)carbamoylamino]pyrazol-1-yl]piperidine-1-carboxamide?
N-ethyl-4-[5-[(2-methoxyphenyl)carbamoylamino]pyrazol-1-yl]piperidine-1-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 2.90, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[5-[(2-methoxyphenyl)carbamoylamino]pyrazol-1-yl]piperidine-1-carboxamide is sourced from PubChem (CID 42513641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).