2-[4-[[(2-pyrrolidin-1-yl-3-pyridinyl)amino]methyl]pyrazol-1-yl]ethanol

C15H21N5O — CID 64831402

IUPAC2-[4-[[(2-pyrrolidin-1-yl-3-pyridinyl)amino]methyl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(CNc2cccnc2N2CCCC2)cn1
InChIInChI=1S/C15H21N5O/c21-9-8-20-12-13(11-18-20)10-17-14-4-3-5-16-15(14)19-6-1-2-7-19/h3-5,11-12,17,21H,1-2,6-10H2
InChIKeyDOKGCDPVILHLRB-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.48
Rot. Bonds6

About 2-[4-[[(2-pyrrolidin-1-yl-3-pyridinyl)amino]methyl]pyrazol-1-yl]ethanol

2-[4-[[(2-pyrrolidin-1-yl-3-pyridinyl)amino]methyl]pyrazol-1-yl]ethanol (PubChem CID 64831402) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-[4-[[(2-pyrrolidin-1-yl-3-pyridinyl)amino]methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[(2-pyrrolidin-1-yl-3-pyridinyl)amino]methyl]pyrazol-1-yl]ethanol
PubChem CID64831402
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-[4-[[(2-pyrrolidin-1-yl-3-pyridinyl)amino]methyl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(CNc2cccnc2N2CCCC2)cn1
InChIInChI=1S/C15H21N5O/c21-9-8-20-12-13(11-18-20)10-17-14-4-3-5-16-15(14)19-6-1-2-7-19/h3-5,11-12,17,21H,1-2,6-10H2
InChIKeyDOKGCDPVILHLRB-UHFFFAOYSA-N
XLogP1.48
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(2-fluoroanilino)methyl]pyrazol-1-yl]ethanol
CID 64829351
4-[[(2-pyrrolidin-1-yl-3-pyridinyl)amino]methyl]benzene-1,2-diol
CID 43676426
2-[4-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]pyrazol-1-yl]ethanol
CID 64828561
N-[(3-bromophenyl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 43676391
2-bromo-4-[[(2-pyrrolidin-1-yl-3-pyridinyl)amino]methyl]phenol
CID 63045195
N-(pyrazin-2-ylmethyl)-2-pyrrolidin-1-ylpyridin-3-amine
CID 62761986
N-[(1-methyltriazol-4-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 55113792
N-[(1-ethylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline
CID 103825717
N-[(1-ethylpyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 104819670
2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-N-methylbenzenesulfonamide
CID 64830564
2-[4-[[2-(difluoromethoxy)anilino]methyl]pyrazol-1-yl]ethanol
CID 64831321
N-[(2-propylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 114555031

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2-pyrrolidin-1-yl-3-pyridinyl)amino]methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[(2-pyrrolidin-1-yl-3-pyridinyl)amino]methyl]pyrazol-1-yl]ethanol (CID 64831402) is 2-[4-[[(2-pyrrolidin-1-yl-3-pyridinyl)amino]methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[(2-pyrrolidin-1-yl-3-pyridinyl)amino]methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[(2-pyrrolidin-1-yl-3-pyridinyl)amino]methyl]pyrazol-1-yl]ethanol is OCCn1cc(CNc2cccnc2N2CCCC2)cn1.
What is the InChIKey of 2-[4-[[(2-pyrrolidin-1-yl-3-pyridinyl)amino]methyl]pyrazol-1-yl]ethanol?
The InChIKey is DOKGCDPVILHLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c21-9-8-20-12-13(11-18-20)10-17-14-4-3-5-16-15(14)19-6-1-2-7-19/h3-5,11-12,17,21H,1-2,6-10H2.
What are the key properties of 2-[4-[[(2-pyrrolidin-1-yl-3-pyridinyl)amino]methyl]pyrazol-1-yl]ethanol?
2-[4-[[(2-pyrrolidin-1-yl-3-pyridinyl)amino]methyl]pyrazol-1-yl]ethanol has a molecular weight of 287.37 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2-pyrrolidin-1-yl-3-pyridinyl)amino]methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 64831402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).