N-[2-(2-hydroxypropylamino)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide

C11H20N4O2 — CID 104593791

IUPACN-[2-(2-hydroxypropylamino)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NCCNCC(C)O
InChIInChI=1S/C11H20N4O2/c1-7(16)6-12-4-5-13-11(17)10-8(2)14-15-9(10)3/h7,12,16H,4-6H2,1-3H3,(H,13,17)(H,14,15)
InChIKeyDHKMKFONHVLIGX-UHFFFAOYSA-N
MW240.31 g/mol
LogP-0.27
Rot. Bonds6

About N-[2-(2-hydroxypropylamino)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide

N-[2-(2-hydroxypropylamino)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 104593791) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is N-[2-(2-hydroxypropylamino)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxypropylamino)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID104593791
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC NameN-[2-(2-hydroxypropylamino)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NCCNCC(C)O
InChIInChI=1S/C11H20N4O2/c1-7(16)6-12-4-5-13-11(17)10-8(2)14-15-9(10)3/h7,12,16H,4-6H2,1-3H3,(H,13,17)(H,14,15)
InChIKeyDHKMKFONHVLIGX-UHFFFAOYSA-N
XLogP-0.27
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-0.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-((1r,4r)-4-aminocyclohexyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 55062584
N-(1-(1-(L-alanyl)piperidin-4-yl)ethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 132228168
N-((1r,4r)-4-(3-aminopropanamido)cyclohexyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 132228172
3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 43582806
N-(2-hydroxyethyl)-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 54877509
3,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-4-carboxamide
CID 55260613
N-[2-(dimethylamino)-2-oxoethyl]-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 60958670
N,3,5-trimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-4-carboxamide
CID 60959155
3,5-dimethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide
CID 63227825
3,5-dimethyl-N-(4,4,4-trifluorobutyl)-1H-pyrazole-4-carboxamide
CID 79039794
N-(2,2-difluoroethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 80033108
3,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrazole-4-carboxamide
CID 103726335

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide (CID 104593791) is N-[2-(2-hydroxypropylamino)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxypropylamino)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(2-hydroxypropylamino)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)NCCNCC(C)O.
What is the InChIKey of N-[2-(2-hydroxypropylamino)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is DHKMKFONHVLIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-7(16)6-12-4-5-13-11(17)10-8(2)14-15-9(10)3/h7,12,16H,4-6H2,1-3H3,(H,13,17)(H,14,15).
What are the key properties of N-[2-(2-hydroxypropylamino)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
N-[2-(2-hydroxypropylamino)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 240.31 g/mol, XLogP of -0.27, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxypropylamino)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 104593791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).