N-(5-methyl-2-propylpyrazol-3-yl)-4-pyrimidin-2-yl-1,4-diazepane-1-carboxamide

C17H25N7O — CID 72879127

IUPACN-(5-methyl-2-propylpyrazol-3-yl)-4-pyrimidin-2-yl-1,4-diazepane-1-carboxamide
SMILESCCCn1nc(C)cc1NC(=O)N1CCCN(c2ncccn2)CC1
InChIInChI=1S/C17H25N7O/c1-3-8-24-15(13-14(2)21-24)20-17(25)23-10-5-9-22(11-12-23)16-18-6-4-7-19-16/h4,6-7,13H,3,5,8-12H2,1-2H3,(H,20,25)
InChIKeyBPGQYNVLXYTLRF-UHFFFAOYSA-N
MW343.44 g/mol
LogP2.14
Rot. Bonds4

About N-(5-methyl-2-propylpyrazol-3-yl)-4-pyrimidin-2-yl-1,4-diazepane-1-carboxamide

N-(5-methyl-2-propylpyrazol-3-yl)-4-pyrimidin-2-yl-1,4-diazepane-1-carboxamide (PubChem CID 72879127) has the molecular formula C17H25N7O and a molecular weight of 343.44 g/mol. Its IUPAC name is N-(5-methyl-2-propylpyrazol-3-yl)-4-pyrimidin-2-yl-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-2-propylpyrazol-3-yl)-4-pyrimidin-2-yl-1,4-diazepane-1-carboxamide
PubChem CID72879127
Molecular FormulaC17H25N7O
Molecular Weight343.44 g/mol
Exact Mass343.21
IUPAC NameN-(5-methyl-2-propylpyrazol-3-yl)-4-pyrimidin-2-yl-1,4-diazepane-1-carboxamide
SMILESCCCn1nc(C)cc1NC(=O)N1CCCN(c2ncccn2)CC1
InChIInChI=1S/C17H25N7O/c1-3-8-24-15(13-14(2)21-24)20-17(25)23-10-5-9-22(11-12-23)16-18-6-4-7-19-16/h4,6-7,13H,3,5,8-12H2,1-2H3,(H,20,25)
InChIKeyBPGQYNVLXYTLRF-UHFFFAOYSA-N
XLogP2.14
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-tert-butyl-5-methylpyrazol-3-yl)-4-propyl-1,4-diazepane-1-carboxamide
CID 71880859
N-(2-propoxyethyl)-4-pyrimidin-2-yl-1,4-diazepane-1-carboxamide
CID 121495669
N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-(5-ethylpyrimidin-2-yl)-1,4-diazepane-1-carboxamide
CID 25269221
N-(4-methylsulfonylphenyl)-4-pyrimidin-2-yl-1,4-diazepane-1-carboxamide
CID 118762508
N-(1-butan-2-yl-5-methylpyrazol-4-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 146090777
2-(propylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 60671666
N-(2-phenylethyl)-4-pyrimidin-2-yl-1,4-diazepane-1-carboxamide
CID 119074881
(1-ethyl-5-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110681727
(4-pyrimidin-2-ylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
CID 108987866
N-(2-benzyl-5-methylpyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 55580302
N-(4-tert-butylphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108884869
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111205172

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-propylpyrazol-3-yl)-4-pyrimidin-2-yl-1,4-diazepane-1-carboxamide?
The IUPAC name of N-(5-methyl-2-propylpyrazol-3-yl)-4-pyrimidin-2-yl-1,4-diazepane-1-carboxamide (CID 72879127) is N-(5-methyl-2-propylpyrazol-3-yl)-4-pyrimidin-2-yl-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-(5-methyl-2-propylpyrazol-3-yl)-4-pyrimidin-2-yl-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-(5-methyl-2-propylpyrazol-3-yl)-4-pyrimidin-2-yl-1,4-diazepane-1-carboxamide is CCCn1nc(C)cc1NC(=O)N1CCCN(c2ncccn2)CC1.
What is the InChIKey of N-(5-methyl-2-propylpyrazol-3-yl)-4-pyrimidin-2-yl-1,4-diazepane-1-carboxamide?
The InChIKey is BPGQYNVLXYTLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O/c1-3-8-24-15(13-14(2)21-24)20-17(25)23-10-5-9-22(11-12-23)16-18-6-4-7-19-16/h4,6-7,13H,3,5,8-12H2,1-2H3,(H,20,25).
What are the key properties of N-(5-methyl-2-propylpyrazol-3-yl)-4-pyrimidin-2-yl-1,4-diazepane-1-carboxamide?
N-(5-methyl-2-propylpyrazol-3-yl)-4-pyrimidin-2-yl-1,4-diazepane-1-carboxamide has a molecular weight of 343.44 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-propylpyrazol-3-yl)-4-pyrimidin-2-yl-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 72879127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).