N-(5-formyl-1H-pyrazol-4-yl)-4-phosphanylbenzamide;1-N-methylpentane-1,3-diamine

C17H26N5O2P — CID 142995079

IUPACN-(5-formyl-1H-pyrazol-4-yl)-4-phosphanylbenzamide;1-N-methylpentane-1,3-diamine
SMILESCCC(N)CCNC.O=Cc1[nH]ncc1NC(=O)c1ccc(P)cc1
InChIInChI=1S/C11H10N3O2P.C6H16N2/c15-6-10-9(5-12-14-10)13-11(16)7-1-3-8(17)4-2-7;1-3-6(7)4-5-8-2/h1-6H,17H2,(H,12,14)(H,13,16);6,8H,3-5,7H2,1-2H3
InChIKeyKBKORRCHAMDHSH-UHFFFAOYSA-N
MW363.40 g/mol
LogP1.31
Rot. Bonds7

About N-(5-formyl-1H-pyrazol-4-yl)-4-phosphanylbenzamide;1-N-methylpentane-1,3-diamine

N-(5-formyl-1H-pyrazol-4-yl)-4-phosphanylbenzamide;1-N-methylpentane-1,3-diamine (PubChem CID 142995079) has the molecular formula C17H26N5O2P and a molecular weight of 363.40 g/mol. Its IUPAC name is N-(5-formyl-1H-pyrazol-4-yl)-4-phosphanylbenzamide;1-N-methylpentane-1,3-diamine.

Molecular Properties

Compound NameN-(5-formyl-1H-pyrazol-4-yl)-4-phosphanylbenzamide;1-N-methylpentane-1,3-diamine
PubChem CID142995079
Molecular FormulaC17H26N5O2P
Molecular Weight363.40 g/mol
Exact Mass363.18
IUPAC NameN-(5-formyl-1H-pyrazol-4-yl)-4-phosphanylbenzamide;1-N-methylpentane-1,3-diamine
SMILESCCC(N)CCNC.O=Cc1[nH]ncc1NC(=O)c1ccc(P)cc1
InChIInChI=1S/C11H10N3O2P.C6H16N2/c15-6-10-9(5-12-14-10)13-11(16)7-1-3-8(17)4-2-7;1-3-6(7)4-5-8-2/h1-6H,17H2,(H,12,14)(H,13,16);6,8H,3-5,7H2,1-2H3
InChIKeyKBKORRCHAMDHSH-UHFFFAOYSA-N
XLogP1.31
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 51.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2,6-dichloro-N-(5-formyl-1H-pyrazol-4-yl)benzamide;ethanamine;N-methylpropan-1-amine
CID 142995094
4-[(4-chlorobenzoyl)amino]-N-[6-(methylamino)hexan-3-yl]-1H-pyrazole-5-carboxamide
CID 143263527
[4-[(4-methylbenzoyl)amino]-1H-pyrazol-5-yl]methyl formate
CID 174510787
2-fluoro-N-(5-formyl-1H-pyrazol-4-yl)-6-hydroxybenzamide
CID 142995031
prop-1-en-2-yl N-(5-formyl-1H-pyrazol-4-yl)carbamate
CID 88849088
4-(1-amino-2-hydroxyethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide;dihydrobromide
CID 142654986
ethane;(E)-2-fluorobut-2-ene;2-fluoro-N-(5-formyl-1H-pyrazol-4-yl)-6-hydroxybenzamide;prop-2-en-1-amine
CID 142995030
2,6-difluoro-N-(5-formyl-1H-pyrazol-4-yl)cyclohepta-2,4,6-triene-1-carboxamide;N-(fluoromethyl)ethanamine;fluorophosphane;N-methylbutan-2-amine
CID 143263412
4-[[4-(dipropylsulfamoyl)benzoyl]amino]-N-methyl-1H-pyrazole-5-carboxamide
CID 69381656
N-(2-cyanoethyl)-4-[(4-methylbenzoyl)amino]-1H-pyrazole-5-carboxamide
CID 68991326
N-(5-fluoro-2-methylphenyl)-4-formylbenzamide
CID 134025425
N-[5-[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 97343253

Frequently Asked Questions

What is the IUPAC name of N-(5-formyl-1H-pyrazol-4-yl)-4-phosphanylbenzamide;1-N-methylpentane-1,3-diamine?
The IUPAC name of N-(5-formyl-1H-pyrazol-4-yl)-4-phosphanylbenzamide;1-N-methylpentane-1,3-diamine (CID 142995079) is N-(5-formyl-1H-pyrazol-4-yl)-4-phosphanylbenzamide;1-N-methylpentane-1,3-diamine.
What is the SMILES notation for N-(5-formyl-1H-pyrazol-4-yl)-4-phosphanylbenzamide;1-N-methylpentane-1,3-diamine?
The canonical SMILES for N-(5-formyl-1H-pyrazol-4-yl)-4-phosphanylbenzamide;1-N-methylpentane-1,3-diamine is CCC(N)CCNC.O=Cc1[nH]ncc1NC(=O)c1ccc(P)cc1.
What is the InChIKey of N-(5-formyl-1H-pyrazol-4-yl)-4-phosphanylbenzamide;1-N-methylpentane-1,3-diamine?
The InChIKey is KBKORRCHAMDHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N3O2P.C6H16N2/c15-6-10-9(5-12-14-10)13-11(16)7-1-3-8(17)4-2-7;1-3-6(7)4-5-8-2/h1-6H,17H2,(H,12,14)(H,13,16);6,8H,3-5,7H2,1-2H3.
What are the key properties of N-(5-formyl-1H-pyrazol-4-yl)-4-phosphanylbenzamide;1-N-methylpentane-1,3-diamine?
N-(5-formyl-1H-pyrazol-4-yl)-4-phosphanylbenzamide;1-N-methylpentane-1,3-diamine has a molecular weight of 363.40 g/mol, XLogP of 1.31, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-formyl-1H-pyrazol-4-yl)-4-phosphanylbenzamide;1-N-methylpentane-1,3-diamine is sourced from PubChem (CID 142995079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).