1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-methyl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea

C20H30N6O — CID 121498806

IUPAC1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-methyl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
SMILESCc1n[nH]c(C)c1CCN(C)C(=O)NC1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C20H30N6O/c1-15-19(16(2)24-23-15)8-11-25(3)20(27)22-18-6-12-26(13-7-18)14-17-4-9-21-10-5-17/h4-5,9-10,18H,6-8,11-14H2,1-3H3,(H,22,27)(H,23,24)
InChIKeyIIJQXWOIWHHJHG-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.27
Rot. Bonds6

About 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-methyl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea

1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-methyl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea (PubChem CID 121498806) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-methyl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-methyl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
PubChem CID121498806
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC Name1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-methyl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
SMILESCc1n[nH]c(C)c1CCN(C)C(=O)NC1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C20H30N6O/c1-15-19(16(2)24-23-15)8-11-25(3)20(27)22-18-6-12-26(13-7-18)14-17-4-9-21-10-5-17/h4-5,9-10,18H,6-8,11-14H2,1-3H3,(H,22,27)(H,23,24)
InChIKeyIIJQXWOIWHHJHG-UHFFFAOYSA-N
XLogP2.27
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-1-[(3-methylsulfanylphenyl)methyl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 121498866
3-[4-(dimethylamino)phenyl]-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide
CID 91791895
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(pyridin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 125025151
2-methyl-3-(methylamino)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide;dihydrochloride
CID 119848192
2-methoxy-2-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide
CID 136524347
1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3-(2,4,6-trimethylphenyl)urea
CID 47049556
1-(2-ethyl-2-hydroxybutyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 136579762
4-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pentanamide
CID 120564614
3-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]butanamide;dihydrochloride
CID 119848202
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide
CID 45221315
1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-methoxy-3-pyridinyl)-1-methylurea
CID 72904070
2-pyridin-3-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 91774888

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-methyl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea?
The IUPAC name of 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-methyl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea (CID 121498806) is 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-methyl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-methyl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea?
The canonical SMILES for 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-methyl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea is Cc1n[nH]c(C)c1CCN(C)C(=O)NC1CCN(Cc2ccncc2)CC1.
What is the InChIKey of 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-methyl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea?
The InChIKey is IIJQXWOIWHHJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O/c1-15-19(16(2)24-23-15)8-11-25(3)20(27)22-18-6-12-26(13-7-18)14-17-4-9-21-10-5-17/h4-5,9-10,18H,6-8,11-14H2,1-3H3,(H,22,27)(H,23,24).
What are the key properties of 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-methyl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea?
1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-methyl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea has a molecular weight of 370.50 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-methyl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea is sourced from PubChem (CID 121498806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).