N-[[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-methylcyclopropyl)methyl]propan-1-amine

C15H27ClN4 — CID 114655933

IUPACN-[[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-methylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(c1c(Cl)cnn1CCN(C)C)C1CC1C
InChIInChI=1S/C15H27ClN4/c1-5-6-17-14(12-9-11(12)2)15-13(16)10-18-20(15)8-7-19(3)4/h10-12,14,17H,5-9H2,1-4H3
InChIKeyCPSXTODWPWNPQN-UHFFFAOYSA-N
MW298.86 g/mol
LogP2.79
Rot. Bonds8

About N-[[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-methylcyclopropyl)methyl]propan-1-amine

N-[[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-methylcyclopropyl)methyl]propan-1-amine (PubChem CID 114655933) has the molecular formula C15H27ClN4 and a molecular weight of 298.86 g/mol. Its IUPAC name is N-[[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-methylcyclopropyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-methylcyclopropyl)methyl]propan-1-amine
PubChem CID114655933
Molecular FormulaC15H27ClN4
Molecular Weight298.86 g/mol
Exact Mass298.19
IUPAC NameN-[[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-methylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(c1c(Cl)cnn1CCN(C)C)C1CC1C
InChIInChI=1S/C15H27ClN4/c1-5-6-17-14(12-9-11(12)2)15-13(16)10-18-20(15)8-7-19(3)4/h10-12,14,17H,5-9H2,1-4H3
InChIKeyCPSXTODWPWNPQN-UHFFFAOYSA-N
XLogP2.79
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-chloro-5-[methylamino-(2-methylcyclopropyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114655901
N-[(4-chloro-1-propylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 114655689
N-[(4-chloro-1-propylpyrazol-5-yl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 114649242
N-[1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethylsulfanylethyl]propan-1-amine
CID 114653523
2-[5-[6-bicyclo[3.1.0]hexanyl(methylamino)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 105038986
2-[5-[amino-(2-methylcyclopentyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 107190913
3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropyl-N-propylpropan-1-amine
CID 114664361
2-[4-chloro-5-[methylamino(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114652491
2-[4-chloro-5-[1,4-dithian-2-yl(ethylamino)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114658049
N-[3-bicyclo[3.1.0]hexanyl-(4-chloro-1-ethylpyrazol-5-yl)methyl]propan-1-amine
CID 105040488
N-[(4-chloro-1-propylpyrazol-5-yl)-(oxan-4-yl)methyl]propan-1-amine
CID 114654894
2-[4-chloro-5-[ethylamino(1,4-oxathian-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114658118

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-methylcyclopropyl)methyl]propan-1-amine?
The IUPAC name of N-[[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-methylcyclopropyl)methyl]propan-1-amine (CID 114655933) is N-[[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-methylcyclopropyl)methyl]propan-1-amine.
What is the SMILES notation for N-[[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-methylcyclopropyl)methyl]propan-1-amine?
The canonical SMILES for N-[[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-methylcyclopropyl)methyl]propan-1-amine is CCCNC(c1c(Cl)cnn1CCN(C)C)C1CC1C.
What is the InChIKey of N-[[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-methylcyclopropyl)methyl]propan-1-amine?
The InChIKey is CPSXTODWPWNPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27ClN4/c1-5-6-17-14(12-9-11(12)2)15-13(16)10-18-20(15)8-7-19(3)4/h10-12,14,17H,5-9H2,1-4H3.
What are the key properties of N-[[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-methylcyclopropyl)methyl]propan-1-amine?
N-[[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-methylcyclopropyl)methyl]propan-1-amine has a molecular weight of 298.86 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-methylcyclopropyl)methyl]propan-1-amine is sourced from PubChem (CID 114655933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).