N-[(3S)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-5-propan-2-yl-1H-pyrazole-4-carboxamide

C18H26N6O — CID 124626387

IUPACN-[(3S)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-5-propan-2-yl-1H-pyrazole-4-carboxamide
SMILESCCc1cc(N2CCC[C@H](NC(=O)c3cn[nH]c3C(C)C)C2)ncn1
InChIInChI=1S/C18H26N6O/c1-4-13-8-16(20-11-19-13)24-7-5-6-14(10-24)22-18(25)15-9-21-23-17(15)12(2)3/h8-9,11-12,14H,4-7,10H2,1-3H3,(H,21,23)(H,22,25)/t14-/m0/s1
InChIKeyWTPDMLKFSLUQNL-AWEZNQCLSA-N
MW342.45 g/mol
LogP2.28
Rot. Bonds5

About N-[(3S)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-5-propan-2-yl-1H-pyrazole-4-carboxamide

N-[(3S)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-5-propan-2-yl-1H-pyrazole-4-carboxamide (PubChem CID 124626387) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is N-[(3S)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-5-propan-2-yl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-5-propan-2-yl-1H-pyrazole-4-carboxamide
PubChem CID124626387
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC NameN-[(3S)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-5-propan-2-yl-1H-pyrazole-4-carboxamide
SMILESCCc1cc(N2CCC[C@H](NC(=O)c3cn[nH]c3C(C)C)C2)ncn1
InChIInChI=1S/C18H26N6O/c1-4-13-8-16(20-11-19-13)24-7-5-6-14(10-24)22-18(25)15-9-21-23-17(15)12(2)3/h8-9,11-12,14H,4-7,10H2,1-3H3,(H,21,23)(H,22,25)/t14-/m0/s1
InChIKeyWTPDMLKFSLUQNL-AWEZNQCLSA-N
XLogP2.28
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3S)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-5-propan-2-yl-1H-pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-2-(methylamino)acetamide;hydrochloride
CID 120704514
1-(6-ethylpyrimidin-4-yl)-N-methylpiperidin-3-amine
CID 62545846
2-cyclopropyl-N-[(3R)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-6-oxo-1H-pyridine-4-carboxamide
CID 129398654
N-cyclopropyl-5-propan-2-yl-1H-pyrazole-4-carboxamide
CID 66825404
1-(6-ethylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 166605798
(3R)-N-[(3S)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-3-methylmorpholine-4-carboxamide
CID 124721716
2-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]acetic acid
CID 62689410
2-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]benzamide;dihydrochloride
CID 119947419
3-[[[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]amino]methyl]benzoic acid
CID 122031077
N-propan-2-yl-1-(6-propylpyrimidin-4-yl)pyrrolidin-3-amine
CID 141341274
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide
CID 167870558
2-ethoxy-N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]acetamide
CID 53185796

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-5-propan-2-yl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(3S)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-5-propan-2-yl-1H-pyrazole-4-carboxamide (CID 124626387) is N-[(3S)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-5-propan-2-yl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(3S)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-5-propan-2-yl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(3S)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-5-propan-2-yl-1H-pyrazole-4-carboxamide is CCc1cc(N2CCC[C@H](NC(=O)c3cn[nH]c3C(C)C)C2)ncn1.
What is the InChIKey of N-[(3S)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-5-propan-2-yl-1H-pyrazole-4-carboxamide?
The InChIKey is WTPDMLKFSLUQNL-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H26N6O/c1-4-13-8-16(20-11-19-13)24-7-5-6-14(10-24)22-18(25)15-9-21-23-17(15)12(2)3/h8-9,11-12,14H,4-7,10H2,1-3H3,(H,21,23)(H,22,25)/t14-/m0/s1.
What are the key properties of N-[(3S)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-5-propan-2-yl-1H-pyrazole-4-carboxamide?
N-[(3S)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-5-propan-2-yl-1H-pyrazole-4-carboxamide has a molecular weight of 342.45 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-5-propan-2-yl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 124626387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).