N-benzyl-3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propanamide

C21H26N6O — CID 53069636

IUPACN-benzyl-3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propanamide
SMILESCc1nn(-c2cc(N(C)C)ncn2)c(C)c1CCC(=O)NCc1ccccc1
InChIInChI=1S/C21H26N6O/c1-15-18(10-11-21(28)22-13-17-8-6-5-7-9-17)16(2)27(25-15)20-12-19(26(3)4)23-14-24-20/h5-9,12,14H,10-11,13H2,1-4H3,(H,22,28)
InChIKeyOIDCQFCHIWMQFX-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.59
Rot. Bonds7

About N-benzyl-3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propanamide

N-benzyl-3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propanamide (PubChem CID 53069636) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is N-benzyl-3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propanamide.

Molecular Properties

Compound NameN-benzyl-3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propanamide
PubChem CID53069636
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC NameN-benzyl-3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propanamide
SMILESCc1nn(-c2cc(N(C)C)ncn2)c(C)c1CCC(=O)NCc1ccccc1
InChIInChI=1S/C21H26N6O/c1-15-18(10-11-21(28)22-13-17-8-6-5-7-9-17)16(2)27(25-15)20-12-19(26(3)4)23-14-24-20/h5-9,12,14H,10-11,13H2,1-4H3,(H,22,28)
InChIKeyOIDCQFCHIWMQFX-UHFFFAOYSA-N
XLogP2.59
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]-N-(3,5-dimethylphenyl)propanamide
CID 53069666
3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 53069654
3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(2-phenylethyl)propanamide
CID 53069421
N-(2-chloro-4-fluorophenyl)-3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 53006375
N-(3-chloro-4-methoxyphenyl)-3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 53069687
3-[3,5-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 53069596
N-[(4-chlorophenyl)methyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 40722802
N-[(3-chlorophenyl)methyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 9427471
N-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-phenylpropanamide
CID 91629292
3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide
CID 53069405
3-[3,5-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]-N-[(2R)-2-phenylpropyl]propanamide
CID 95068834
N-[(4-chlorophenyl)methyl]-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanamide
CID 9042472

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propanamide?
The IUPAC name of N-benzyl-3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propanamide (CID 53069636) is N-benzyl-3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propanamide.
What is the SMILES notation for N-benzyl-3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propanamide?
The canonical SMILES for N-benzyl-3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propanamide is Cc1nn(-c2cc(N(C)C)ncn2)c(C)c1CCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propanamide?
The InChIKey is OIDCQFCHIWMQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-15-18(10-11-21(28)22-13-17-8-6-5-7-9-17)16(2)27(25-15)20-12-19(26(3)4)23-14-24-20/h5-9,12,14H,10-11,13H2,1-4H3,(H,22,28).
What are the key properties of N-benzyl-3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propanamide?
N-benzyl-3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propanamide has a molecular weight of 378.48 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propanamide is sourced from PubChem (CID 53069636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).