N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine

C16H27ClN4 — CID 106616454

IUPACN-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine
SMILESCCn1nc(C)c(Cl)c1CN(CC1CC1)CC1CCCN1
InChIInChI=1S/C16H27ClN4/c1-3-21-15(16(17)12(2)19-21)11-20(9-13-6-7-13)10-14-5-4-8-18-14/h13-14,18H,3-11H2,1-2H3
InChIKeyONXFBWLCOAUEBD-UHFFFAOYSA-N
MW310.87 g/mol
LogP2.83
Rot. Bonds7

About N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine

N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine (PubChem CID 106616454) has the molecular formula C16H27ClN4 and a molecular weight of 310.87 g/mol. Its IUPAC name is N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine.

Molecular Properties

Compound NameN-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine
PubChem CID106616454
Molecular FormulaC16H27ClN4
Molecular Weight310.87 g/mol
Exact Mass310.19
IUPAC NameN-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine
SMILESCCn1nc(C)c(Cl)c1CN(CC1CC1)CC1CCCN1
InChIInChI=1S/C16H27ClN4/c1-3-21-15(16(17)12(2)19-21)11-20(9-13-6-7-13)10-14-5-4-8-18-14/h13-14,18H,3-11H2,1-2H3
InChIKeyONXFBWLCOAUEBD-UHFFFAOYSA-N
XLogP2.83
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106632130
N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616967
N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616672
1-cyclopropyl-N-[(2-ethylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106604456
N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 106614313
1-cyclopropyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106616386
1-cyclopropyl-N-[(3-ethylimidazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106604446
N-(cyclopropylmethyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 63955583
1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106604413
3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]piperidin-2-one
CID 104679197
1-cyclopropyl-N-[(2-ethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106604438
N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 4715267

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine?
The IUPAC name of N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine (CID 106616454) is N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine.
What is the SMILES notation for N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine?
The canonical SMILES for N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine is CCn1nc(C)c(Cl)c1CN(CC1CC1)CC1CCCN1.
What is the InChIKey of N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine?
The InChIKey is ONXFBWLCOAUEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN4/c1-3-21-15(16(17)12(2)19-21)11-20(9-13-6-7-13)10-14-5-4-8-18-14/h13-14,18H,3-11H2,1-2H3.
What are the key properties of N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine?
N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine has a molecular weight of 310.87 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine is sourced from PubChem (CID 106616454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).