N-(2-tert-butyl-5-methylpyrazol-3-yl)-4-propyl-1,4-diazepane-1-carboxamide

C17H31N5O — CID 71880859

IUPACN-(2-tert-butyl-5-methylpyrazol-3-yl)-4-propyl-1,4-diazepane-1-carboxamide
SMILESCCCN1CCCN(C(=O)Nc2cc(C)nn2C(C)(C)C)CC1
InChIInChI=1S/C17H31N5O/c1-6-8-20-9-7-10-21(12-11-20)16(23)18-15-13-14(2)19-22(15)17(3,4)5/h13H,6-12H2,1-5H3,(H,18,23)
InChIKeyRPVWGWPXAFMZSA-UHFFFAOYSA-N
MW321.47 g/mol
LogP2.90
Rot. Bonds3

About N-(2-tert-butyl-5-methylpyrazol-3-yl)-4-propyl-1,4-diazepane-1-carboxamide

N-(2-tert-butyl-5-methylpyrazol-3-yl)-4-propyl-1,4-diazepane-1-carboxamide (PubChem CID 71880859) has the molecular formula C17H31N5O and a molecular weight of 321.47 g/mol. Its IUPAC name is N-(2-tert-butyl-5-methylpyrazol-3-yl)-4-propyl-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butyl-5-methylpyrazol-3-yl)-4-propyl-1,4-diazepane-1-carboxamide
PubChem CID71880859
Molecular FormulaC17H31N5O
Molecular Weight321.47 g/mol
Exact Mass321.25
IUPAC NameN-(2-tert-butyl-5-methylpyrazol-3-yl)-4-propyl-1,4-diazepane-1-carboxamide
SMILESCCCN1CCCN(C(=O)Nc2cc(C)nn2C(C)(C)C)CC1
InChIInChI=1S/C17H31N5O/c1-6-8-20-9-7-10-21(12-11-20)16(23)18-15-13-14(2)19-22(15)17(3,4)5/h13H,6-12H2,1-5H3,(H,18,23)
InChIKeyRPVWGWPXAFMZSA-UHFFFAOYSA-N
XLogP2.90
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-methyl-2-propylpyrazol-3-yl)-4-pyrimidin-2-yl-1,4-diazepane-1-carboxamide
CID 72879127
ethyl N-(2-tert-butyl-5-methylpyrazol-3-yl)carbamate
CID 110470603
4-[2-(diethylamino)-2-oxoethyl]-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide
CID 60565258
4-[(4-chlorophenyl)methyl]-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide
CID 138041503
N-(2-tert-butyl-5-methylpyrazol-3-yl)-4-(1-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 167851507
N-(3-methoxyphenyl)-4-propyl-1,4-diazepane-1-carboxamide
CID 47090396
ethyl 4-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]piperazine-1-carboxylate
CID 36800258
N-(2,5-dimethylpyrazol-3-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 72843451
N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide
CID 78889403
N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
CID 60504087
N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 110019824
N-phenyl-4-propylpiperazine-1-carboxamide
CID 17383007

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-5-methylpyrazol-3-yl)-4-propyl-1,4-diazepane-1-carboxamide?
The IUPAC name of N-(2-tert-butyl-5-methylpyrazol-3-yl)-4-propyl-1,4-diazepane-1-carboxamide (CID 71880859) is N-(2-tert-butyl-5-methylpyrazol-3-yl)-4-propyl-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-(2-tert-butyl-5-methylpyrazol-3-yl)-4-propyl-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-(2-tert-butyl-5-methylpyrazol-3-yl)-4-propyl-1,4-diazepane-1-carboxamide is CCCN1CCCN(C(=O)Nc2cc(C)nn2C(C)(C)C)CC1.
What is the InChIKey of N-(2-tert-butyl-5-methylpyrazol-3-yl)-4-propyl-1,4-diazepane-1-carboxamide?
The InChIKey is RPVWGWPXAFMZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O/c1-6-8-20-9-7-10-21(12-11-20)16(23)18-15-13-14(2)19-22(15)17(3,4)5/h13H,6-12H2,1-5H3,(H,18,23).
What are the key properties of N-(2-tert-butyl-5-methylpyrazol-3-yl)-4-propyl-1,4-diazepane-1-carboxamide?
N-(2-tert-butyl-5-methylpyrazol-3-yl)-4-propyl-1,4-diazepane-1-carboxamide has a molecular weight of 321.47 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-5-methylpyrazol-3-yl)-4-propyl-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 71880859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).